Closed mphoward closed 2 years ago
There was no specific reason except that we did not need it at the time, so we didn't implement it. The main purpose of the FENE potential in azplugins was to have alternative code to core HOOMD-blue, which made some weird choice in the potential we weren't 100% sure about. So I see no opposing reason.
Does the user want to implement this themselves? If not, I can probably do it over the weekend since I've written the original code, whenever #61 is complete.
Very good, that was what I remembered too, so let's move ahead with adding this.
@judevishnu has offered to implement it once #61 is done, and since the changes are relatively noninvasive, I think he has it covered.
This feature was requested by a user, and I don't see a strong reason not to. Do you recall why we made this choice @astatt ?
The necessary changes are:
lj1 == Scalar(0)
on line 84.if (lj1 != Scalar(0) && ...)
else
branch for theif
on line 95 that sets bothbond_eng
andforce_divr
to zero.epsilon
andsigma
frombond.py
, and remove any related unit test checks.epsilon
and/orsigma
are zero.Line numbers refer to current main (b09ff91).